25,26-dihydroxyvitamin D

Base Information

• Chemical Name: 25,26-dihydroxyvitamin D
• CAS No.: 29261-12-9
• Molecular Formula: C27H44 O3
• Molecular Weight: 416.645
• Wikidata: Q27161257
• Metabolomics Workbench ID: 37787
• Mol file: 29261-12-9.mol

Synonyms:25,26-dihydroxyvitamin D;CHEBI:89079;Q27161257;9,10-Secocholesta-5,7,10(19)-triene-3b,25,26-triol;(6R)-6-[(1R,3aS,5Z,7aS)-5-{2-[(1Z,5S)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene}-7a-methyl-octahydro-1H-inden-1-yl]-2-methylheptane-1,2-diol

Chemical Property of 25,26-dihydroxyvitamin D

Chemical Property:

• Vapor Pressure: 1.24E-15mmHg at 25°C
• Boiling Point: 575.3°Cat760mmHg
• PKA: 14.51±0.29(Predicted)
• Flash Point: 243.7°C
• PSA: 60.69000
• Density: 1.06g/cm³
• LogP: 5.70630
• Storage Temp.: −20°C
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 416.32904526
• Heavy Atom Count: 30
• Complexity: 678

Purity/Quality:

97% ^*data from raw suppliers

25,26-DihydroxyVitaminD3 ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T,T+
• Statements: 23/24/25-63-48/25-26-24/25
• Safety Statements: 36/37-45-28

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCCC(C)(CO)O)C1CCC2C1(CCC(=CC=C3CC(CCC3=C)O)C2)C
• Isomeric SMILES: C[C@H](CCCC(C)(CO)O)[C@H]1CC[C@@H]2[C@@]1(CC/C(=C/C=C\3/C[C@H](CCC3=C)O)/C2)C
• Uses: Α hydroxylated metabolite of Vitamin D3 (V676045).

Technology Process of 25,26-dihydroxyvitamin D

There total 48 articles about 25,26-dihydroxyvitamin D which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

(20S)-6β-methoxy-3α,5-cyclo-5α-pregnane-20-carbaldehyde (25819-77-6) → 25,26-Dihydroxyvitamin D3 (29261-12-9)

Guidance literature:

Multi-step reaction with 9 steps

1: 1.) Mg / 1.) ether, reflux, 30 min, 2.) 0 degC, 3 h, 3.) r.t., 15 h

2: pyridine / Ambient temperature

3: 1.) sodium borohydiride, 2.) hydrogen / 2.) 10percent Pt/C / 1.) DMSO, 90 degC, 2.) dioxane

4: sodium acetate / acetic acid / 100 °C

5: chromtrioxide, 3,5-dimethylpyrazole / CH₂Cl₂ / -20 °C

6: methanol / Heating

7: 1.) lithiumhydride, 2.) water / 1.) toluene, reflux, 2 h, 2.) MeOH, 0 degC

8: Dowex x 8 / methanol / Ambient temperature

9: Irradiation

With pyridine; 3,5-dimethyl-1H-pyrazole; chromium(VI) oxide; sodium tetrahydroborate; Dowex x 8; water; hydrogen; sodium acetate; lithium hydride; magnesium; platinum on activated charcoal; In methanol; dichloromethane; acetic acid;

DOI:10.1002/hlca.19810640328

Reference yield:

4-(2-hydroxyaethyl)-2,2,4-trimethyl-1,3-dioxolan (79298-42-3) → 25,26-Dihydroxyvitamin D3 (29261-12-9)

Guidance literature:

Multi-step reaction with 10 steps

1: triphenylphosphine, N-bromosuccinimide / CH₂Cl₂ / 1 h / 0 °C

2: 1.) Mg / 1.) ether, reflux, 30 min, 2.) 0 degC, 3 h, 3.) r.t., 15 h

3: pyridine / Ambient temperature

4: 1.) sodium borohydiride, 2.) hydrogen / 2.) 10percent Pt/C / 1.) DMSO, 90 degC, 2.) dioxane

5: sodium acetate / acetic acid / 100 °C

6: chromtrioxide, 3,5-dimethylpyrazole / CH₂Cl₂ / -20 °C

7: methanol / Heating

8: 1.) lithiumhydride, 2.) water / 1.) toluene, reflux, 2 h, 2.) MeOH, 0 degC

9: Dowex x 8 / methanol / Ambient temperature

10: Irradiation

With pyridine; 3,5-dimethyl-1H-pyrazole; chromium(VI) oxide; sodium tetrahydroborate; N-Bromosuccinimide; Dowex x 8; water; hydrogen; sodium acetate; lithium hydride; magnesium; triphenylphosphine; platinum on activated charcoal; In methanol; dichloromethane; acetic acid;

DOI:10.1002/hlca.19810640328

Reference yield:

[(S)-2-((1aR,3aR,3bS,5aS,6R,8aS,8bS,10R,10aR)-10-Methoxy-3a,5a-dimethyl-hexadecahydro-cyclopenta[a]cyclopropa[2,3]cyclopenta[1,2-f]naphthalen-6-yl)-propylidene]-triphenyl-λ5-phosphane → 25,26-Dihydroxyvitamin D3 (29261-12-9)

Guidance literature:

Multi-step reaction with 8 steps

1: tetrahydrofuran / 1.) -20 degC, 0.5 h, 2.) 0 degC, 1 h, 3.) r.t., 4 h

2: hydrogen / 10percent Pt/C / ethyl acetate

3: sodium acetate / acetic acid / 100 °C

4: chromtrioxide, 3,5-dimethylpyrazole / CH₂Cl₂ / -20 °C

5: methanol / Heating

6: 1.) lithiumhydride, 2.) water / 1.) toluene, reflux, 2 h, 2.) MeOH, 0 degC

7: Dowex x 8 / methanol / Ambient temperature

8: Irradiation

With 3,5-dimethyl-1H-pyrazole; chromium(VI) oxide; Dowex x 8; water; hydrogen; sodium acetate; lithium hydride; platinum on activated charcoal; In tetrahydrofuran; methanol; dichloromethane; acetic acid; ethyl acetate;

DOI:10.1002/hlca.19810640328

upstream raw materials:

(25RS)-cholesta-5,7-dien-3β,25,26-triol

(20S)-6β-methoxy-3α,5-cyclo-5α-pregnane-20-carbaldehyde

4-(2-hydroxyaethyl)-2,2,4-trimethyl-1,3-dioxolan

essigsaure<(25RS)-25,26-(isopropylidendioxy)-7-<(p-tolylsulfonyl)hydrazono>-cholest-5-en-3β-yl>ester

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